SCHEMBL9304570

SCHEMBL9304570

O=C(O)C(C(=O)S)c1nc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.56
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
ALOX12 P18054 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MLKL Q8NB16 2/20 0.46
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRM1 P11229 1/20 0.44
LMNA P02545 1/20 0.44
FPR1 P21462 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9304581 0.84 IDO1 (0.56) IDO1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL10998993 0.81 IDO1 (0.59) IDO1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL12051733 0.80 IDO1 (0.62) IDO1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL11021655 0.79 IDO1 (0.57) IDO1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL6063463 0.79 IDO1 (0.53) IDO1ALDH1A1POLBKMT2ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL10866532 0.78 IDO1 (0.51) IDO1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL3842687 0.78 KMT2A (0.61) IDO1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL36603600 0.78 KMT2A (0.61) IDO1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL9304576 0.77 IDO1 (0.62) IDO1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL12858901 0.76 IDO1 (0.72) IDO1ALDH1A1POLBKMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed
EP-0183647-A1 Anti-corrosive aqueous paints CIBA-GEIGY AG (CH) 1986-06-04 EP disclosed
EP-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 EP disclosed